7F1K
Designed enzyme RA61 M48K/I72D mutant: form IV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-05-23 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.226, 36.805, 37.544 |
| Unit cell angles | 111.99, 96.51, 109.19 |
Refinement procedure
| Resolution | 17.580 - 1.050 |
| R-factor | 0.1523 |
| Rwork | 0.151 |
| R-free | 0.17170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b5l |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.964 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Number of reflections | 64002 | 9596 |
| <I/σ(I)> | 17.1 | 1.3 |
| Completeness [%] | 91.3 | |
| Redundancy | 3.5 | |
| CC(1/2) | 1.000 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M trisodium citrate dihydrate, pH 5.6, 20% (v/v) 2-propanol, 20% (w/v) PEG4000, 1.7 mM ethyl 6,6,6-trifluoro-5-hydroxy-3-oxo-5-phenyl-hexanoate |
